4-(5-fluoranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile

Systemtic Name: 4-(5-fluoranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile Openeye Name: 4-(5-fluoro-2-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carbonitrile CAS Name: 4-(5-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarbonitrile IUPAC Name: 4-(5-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbonitrile Traditional Name: 4-(5-fluoro-2-methyl-phenyl)-1-tosyl-isonipecotonitrile Formula: C20H21FN2O2S MolecularWeight: 372.456343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=C(C=CC(=C3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=C(C=CC(=C3)F)C

InChI

InChI=1S/C20H21FN2O2S/c1-15-3-7-18(8-4-15)26(24,25)23-11-9-20(14-22,10-12-23)19-13-17(21)6-5-16(19)2/h3-8,13H,9-12H2,1-2H3